%chk=000043631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043631

0 1
 O    2.615600       1.117000      5.4800000E-02
 O    4.119200      -1.086900      0.3960000    
 O    2.313300       1.127400       2.376100    
 O    4.392800      -1.347900      -1.914200    
 N   -3.722600     -0.6220000      0.1818000    
 C   -2.257000     -0.4762000      0.3811000    
 C   -1.701900      0.8289000     -0.1992000    
 C   -1.481100      -1.663300     -0.2335000    
 C   -4.413300      0.5931000      0.6425000    
 C   -2.564500       1.914700     -0.4471000    
 C   -4.048400       1.775500     -0.2502000    
 C  -0.3070000      0.9540000     -0.4229000    
 C   1.2400000E-02  -1.492300     -6.6699997E-02
 C   -4.267800      -1.781200      0.8958000    
 C   0.5796000     -0.2030000     -0.1611000    
 C   -2.048900       3.114900     -0.9453000    
 C   0.1747000       2.177600     -0.9221000    
 C   -5.757600      -1.973500      0.6385000    
 C    1.971600     -8.7499999E-02  3.5000001E-03
 C   0.8235000      -2.619000      0.1389000    
 C  -0.6855000       3.245900      -1.178300    
 C    2.772200      -1.211800      0.2253000    
 C    2.199600      -2.476900      0.2870000    
 C   -6.074600      -2.214200     -0.8306000    
 C    2.730500       1.645200       1.348600    
 C    4.856700      -1.174200     -0.7950000    
 C    3.448100       2.961400       1.298700    
 C    6.320200      -1.025400     -0.5025000    
 H   -2.047700     -0.4386000       1.461600    
 H   -1.699700      -1.761400      -1.305100    
 H   -1.766400      -2.602100      0.2513000    
 H   -4.160700      0.8120000       1.689200    
 H   -5.501600      0.5245000      0.5827000    
 H   -4.451600       2.692400      0.1965000    
 H   -4.514500       1.651300      -1.236200    
 H   -4.096800      -1.691200       1.976400    
 H   -3.777400      -2.704600      0.5732000    
 H   -2.709600       3.950500      -1.161400    
 H    1.211900       2.333000      -1.196000    
 H   -6.068300      -2.871500       1.189800    
 H   -6.383200      -1.174700       1.045200    
 H   0.3843000      -3.612000      0.1905000    
 H  -0.2908000       4.175000      -1.579600    
 H    2.816300      -3.355200      0.4563000    
 H   -5.490500      -3.050000      -1.229400    
 H   -7.135100      -2.458500     -0.9501000    
 H   -5.867700      -1.327100      -1.437000    
 H    4.444500       2.822000      0.8718000    
 H    3.555500       3.354600       2.313500    
 H    2.870800       3.674700      0.7057000    
 H    6.507100     -5.1399998E-02 -4.3499999E-02
 H    6.885100      -1.085400      -1.437000    
 H    6.648400      -1.832100      0.1575000    


%chk=000043631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043631

0 1
O 2.638508 0.938874 0.070196
O 4.027965 -1.457302 0.294275
O 2.017908 1.090479 2.333047
O 4.579053 -0.609491 -1.828884
N -3.751200 -0.450746 0.385690
C -2.263855 -0.412179 0.351034
C -1.710180 0.899346 -0.218212
C -1.669633 -1.553270 -0.516392
C -4.325219 0.842250 0.839236
C -2.535754 2.019249 -0.480359
C -4.023294 1.946135 -0.182302
C -0.312500 0.950011 -0.520884
C -0.156496 -1.545460 -0.381707
C -4.282082 -1.583546 1.196447
C 0.504602 -0.278434 -0.317771
C -1.966497 3.193619 -1.031668
C 0.230844 2.129905 -1.094102
C -5.691046 -2.037564 0.749607
C 1.904352 -0.276955 -0.087882
C 0.583291 -2.742846 -0.284436
C -0.592744 3.247411 -1.342699
C 2.633561 -1.481851 -0.006437
C 1.984558 -2.721971 -0.117856
C -5.705887 -2.619701 -0.678878
C 2.602646 1.574121 1.350964
C 4.931191 -0.949540 -0.688320
C 3.348749 2.884250 1.272278
C 6.324786 -0.928120 -0.105448
H -1.846918 -0.529713 1.388699
H -1.986637 -1.384658 -1.565329
H -2.064587 -2.537077 -0.210643
H -3.923725 1.134581 1.843873
H -5.417171 0.720402 0.946917
H -4.386240 2.922110 0.193536
H -4.578768 1.727312 -1.115357
H -4.299811 -1.315674 2.283075
H -3.595879 -2.444184 1.099109
H -2.610706 4.059932 -1.227016
H 1.286876 2.156581 -1.374707
H -6.055761 -2.793865 1.473888
H -6.397190 -1.186018 0.810580
H 0.059237 -3.703374 -0.337644
H -0.164245 4.150750 -1.790779
H 2.571329 -3.642161 -0.046083
H -5.094002 -3.540399 -0.738561
H -6.732171 -2.875040 -1.000506
H -5.285038 -1.886286 -1.388785
H 4.257281 2.783271 0.657498
H 3.600093 3.232223 2.284818
H 2.699387 3.637006 0.787983
H 6.354961 -0.260434 0.773180
H 7.040519 -0.580855 -0.863983
H 6.605638 -1.936606 0.243500


